SCHEMBL7737504

SCHEMBL7737504

Cc1cnc(NNS(=O)(=O)Cc2ccccc2)c(=O)n1CCCNc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.44
PRSS1 P07477 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6850301 0.83 KDM4E (0.41) F2PRSS1KDM4EALDH1A1
SCHEMBL6846378 0.83 KDM4E (0.44) F2PRSS1KDM4EALDH1A1
SCHEMBL7737238 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL7737891 0.78 F2 (0.54) F2PRSS1KDM4EALDH1A1LMNA
SCHEMBL6849324 0.78 MASP2 (0.38) F2PRSS1KDM4EALDH1A1
SCHEMBL6850182 0.76 KDM4E (0.42) F2KDM4EALDH1A1
SCHEMBL8362741 0.66 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL8362786 0.64 F2 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL5474673 0.64 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL6846360 0.62 F2 (0.58) F2PRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed